1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione

C22H25N3O2 — CID 177410052

IUPAC1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione
SMILESCCCCCCN1C(=O)C(c2ccccc2)N(/N=C/c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O2/c1-2-3-4-11-16-24-21(26)20(19-14-9-6-10-15-19)25(22(24)27)23-17-18-12-7-5-8-13-18/h5-10,12-15,17,20H,2-4,11,16H2,1H3/b23-17+
InChIKeyHSHCKHNKWKJKLN-HAVVHWLPSA-N
MW363.46 g/mol
LogP4.61
Rot. Bonds8

About 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione

1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione (PubChem CID 177410052) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione
PubChem CID177410052
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione
SMILESCCCCCCN1C(=O)C(c2ccccc2)N(/N=C/c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O2/c1-2-3-4-11-16-24-21(26)20(19-14-9-6-10-15-19)25(22(24)27)23-17-18-12-7-5-8-13-18/h5-10,12-15,17,20H,2-4,11,16H2,1H3/b23-17+
InChIKeyHSHCKHNKWKJKLN-HAVVHWLPSA-N
XLogP4.61
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3,4-diphenylpyrrolidine-2,5-dione
CID 58821955
3-(benzylideneamino)-1-propyl-3a,4,6,6a-tetrahydrocyclopenta[d]imidazole-2,5-dione
CID 54441359
3-acetyl-1-hexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 2875928
(2S)-3-acetyl-1-hexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 7386685
(10R,15R)-13-butyl-10-phenyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
CID 10915714
1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione
CID 70594836
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
3-[(E)-benzylideneamino]-1-ethyl-5-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 19878409
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione (CID 177410052) is 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione is CCCCCCN1C(=O)C(c2ccccc2)N(/N=C/c2ccccc2)C1=O.
What is the InChIKey of 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is HSHCKHNKWKJKLN-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-3-4-11-16-24-21(26)20(19-14-9-6-10-15-19)25(22(24)27)23-17-18-12-7-5-8-13-18/h5-10,12-15,17,20H,2-4,11,16H2,1H3/b23-17+.
What are the key properties of 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione?
1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-benzylideneamino]-3-hexyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 177410052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).